Structural and functional analysis of the accessory gene regulators of Staphylococcus aureus and Staphylococcus epidermidis: an in Silico approach.

Journal: BMC microbiology
Published Date:

Abstract

BACKGROUND: Staphylococcus aureus and Staphylococcus epidermidis are tenacious pathogens that cause toxic shock syndrome. Accessory gene regulator (Agr) of Staphylococcus sp. controls the expression of multiple genes that encode virulence properties. Evolutionary covariance of accessory gene regulators of selected strains of two Staphylococcus sp. was entrenched through multiple sequence alignment, relative synonymous codon usage, codon adaptation index and compositional analysis. Artificial intelligence and machine learning based AlphaFold and TrRosetta were used to determine the tertiary structures of the proteins. Structure-based ab initio models could forecast subcellular localization, domain length, molecular docking, and simulation of Agrs in the isolates belonging to Staphylococcus sp.

Authors

  • Subhamoy Dey
    Centre for Life Sciences, Vidyasagar University, Midnapore, West Bengal, 721102, India.
  • Tuhin Manna
    Department of Human Physiology, Vidyasagar University, Midnapore, West Bengal, 721102, India.
  • Kartik Chandra Guchhait
    Department of Human Physiology, Vidyasagar University, Midnapore, West Bengal, 721102, India.
  • Monalisha Karmakar
    Department of Human Physiology, Vidyasagar University, Midnapore, West Bengal, 721102, India.
  • Debarati Jana
    Department of Human Physiology, Vidyasagar University, Midnapore, West Bengal, 721102, India.
  • Priyanka Raul
    Centre for Life Sciences, Vidyasagar University, Midnapore, West Bengal, 721102, India.
  • Saroj Ballav
    Department of Human Physiology, Vidyasagar University, Midnapore, West Bengal, 721102, India.
  • Mousumi Manna
    Department of Human Physiology, Vidyasagar University, Midnapore, West Bengal, 721102, India.
  • Subrata Hazra
    Department of Human Physiology, Vidyasagar University, Midnapore, West Bengal, 721102, India.
  • Amiya Kumar Panda
    Department of Chemistry, Vidyasagar University, Midnapore, West Bengal, 721102, India.
  • Chandradipa Ghosh
    Department of Human Physiology, Vidyasagar University, Midnapore, West Bengal, 721102, India. ch_ghosh@mail.vidyasagar.ac.in.